1-[4-(2-hydroxyethoxy)phenyl]decan-1-one

C18H28O3 — CID 43833904

IUPAC1-[4-(2-hydroxyethoxy)phenyl]decan-1-one
SMILESCCCCCCCCCC(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-18(20)16-10-12-17(13-11-16)21-15-14-19/h10-13,19H,2-9,14-15H2,1H3
InChIKeyALCPJVXYDUMHAW-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.38
Rot. Bonds12

About 1-[4-(2-hydroxyethoxy)phenyl]decan-1-one

1-[4-(2-hydroxyethoxy)phenyl]decan-1-one (PubChem CID 43833904) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)phenyl]decan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)phenyl]decan-1-one
PubChem CID43833904
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name1-[4-(2-hydroxyethoxy)phenyl]decan-1-one
SMILESCCCCCCCCCC(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-18(20)16-10-12-17(13-11-16)21-15-14-19/h10-13,19H,2-9,14-15H2,1H3
InChIKeyALCPJVXYDUMHAW-UHFFFAOYSA-N
XLogP4.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
ethyl 6-(4-heptoxyphenyl)-6-oxohexanoate
CID 24727585
1-[4-(4-octadecanoylphenoxy)phenyl]octadecan-1-one
CID 71345622
2-(4-nonanoylphenoxy)acetic acid
CID 139757126
2-(4-decanoylphenoxy)acetic acid
CID 606645
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
6-[4-(2-hydroxyethoxy)phenyl]-6-oxohexanal
CID 143935071
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]decan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]decan-1-one (CID 43833904) is 1-[4-(2-hydroxyethoxy)phenyl]decan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)phenyl]decan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)phenyl]decan-1-one is CCCCCCCCCC(=O)c1ccc(OCCO)cc1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)phenyl]decan-1-one?
The InChIKey is ALCPJVXYDUMHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-18(20)16-10-12-17(13-11-16)21-15-14-19/h10-13,19H,2-9,14-15H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)phenyl]decan-1-one?
1-[4-(2-hydroxyethoxy)phenyl]decan-1-one has a molecular weight of 292.42 g/mol, XLogP of 4.38, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)phenyl]decan-1-one is sourced from PubChem (CID 43833904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).